4-[(4-methoxyphenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)methylamino]-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-(methylthio)-4-(p-anisylamino)pyrimidine-5-carboxylic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)O)SC

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)O)SC

InChI

InChI=1S/C14H15N3O3S/c1-20-10-5-3-9(4-6-10)7-15-12-11(13(18)19)8-16-14(17-12)21-2/h3-6,8H,7H2,1-2H3,(H,18,19)(H,15,16,17)